1,6-diiodoanthracene

C14H8I2 — CID 130319188

IUPAC1,6-diiodoanthracene
SMILESIc1ccc2cc3c(I)cccc3cc2c1
InChIInChI=1S/C14H8I2/c15-12-5-4-9-8-13-10(6-11(9)7-12)2-1-3-14(13)16/h1-8H
InChIKeyXYSMOTJQEJVRFR-UHFFFAOYSA-N
MW430.03 g/mol
LogP5.20
Rot. Bonds

About 1,6-diiodoanthracene

1,6-diiodoanthracene (PubChem CID 130319188) has the molecular formula C14H8I2 and a molecular weight of 430.03 g/mol. Its IUPAC name is 1,6-diiodoanthracene.

Molecular Properties

Compound Name1,6-diiodoanthracene
PubChem CID130319188
Molecular FormulaC14H8I2
Molecular Weight430.03 g/mol
Exact Mass429.87
IUPAC Name1,6-diiodoanthracene
SMILESIc1ccc2cc3c(I)cccc3cc2c1
InChIInChI=1S/C14H8I2/c15-12-5-4-9-8-13-10(6-11(9)7-12)2-1-3-14(13)16/h1-8H
InChIKeyXYSMOTJQEJVRFR-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.03
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1,4-diiodobenzene;2,6-diiodonaphthalene
CID 70426003
octacyclo[16.16.0.02,15.04,13.06,11.019,32.021,30.023,28]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene
CID 12657600
5-iodoanthracene-1-carboxylic acid
CID 139609518
heptacyclo[16.12.0.02,15.04,13.06,11.020,29.021,26]triaconta-1(30),2,4,6,8,10,12,14,16,18,20(29),21,23,25,27-pentadecaene
CID 21087911
octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaen-10-ol
CID 87638914
3-methylheptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriaconta-1(30),2,4,6(36),7,9,11(35),12,14,16(34),17(33),18,20,22(32),23,25,27(31),28-octadecaene
CID 171043844
anthracen-1-ylsulfanium
CID 23128637
heptacen-1-ol
CID 150633624
1-iodo-10-phenylanthracene
CID 141156342
dodecacyclo[29.12.4.42,15.116,20.121,25.126,30.06,11.034,46.035,40.041,45.05,53.012,52]tetrapentaconta-1(44),2(54),3,5(53),6,8,10,12(52),13,15(51),16,18,20(50),21(49),22,24,26(48),27,29,31(47),32,34(46),35,37,39,41(45),42-heptacosaene
CID 140743025
heptacyclo[13.11.1.12,10.04,9.017,22.023,27.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19,21,23(27),24-tetradecaene;tetracene
CID 173170734
pentacene-1-thiol
CID 86230358

Frequently Asked Questions

What is the IUPAC name of 1,6-diiodoanthracene?
The IUPAC name of 1,6-diiodoanthracene (CID 130319188) is 1,6-diiodoanthracene.
What is the SMILES notation for 1,6-diiodoanthracene?
The canonical SMILES for 1,6-diiodoanthracene is Ic1ccc2cc3c(I)cccc3cc2c1.
What is the InChIKey of 1,6-diiodoanthracene?
The InChIKey is XYSMOTJQEJVRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8I2/c15-12-5-4-9-8-13-10(6-11(9)7-12)2-1-3-14(13)16/h1-8H.
What are the key properties of 1,6-diiodoanthracene?
1,6-diiodoanthracene has a molecular weight of 430.03 g/mol, XLogP of 5.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diiodoanthracene is sourced from PubChem (CID 130319188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).